2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid

C22H26N4O4 — CID 11441241

IUPAC2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
SMILESCOc1cc2ncnc(Nc3ccc(CCCCC(N)C(=O)O)cc3)c2cc1OC
InChIInChI=1S/C22H26N4O4/c1-29-19-11-16-18(12-20(19)30-2)24-13-25-21(16)26-15-9-7-14(8-10-15)5-3-4-6-17(23)22(27)28/h7-13,17H,3-6,23H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyLSTSYEDDNSXGCZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.52
Rot. Bonds10

About 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid

2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid (PubChem CID 11441241) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
PubChem CID11441241
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
SMILESCOc1cc2ncnc(Nc3ccc(CCCCC(N)C(=O)O)cc3)c2cc1OC
InChIInChI=1S/C22H26N4O4/c1-29-19-11-16-18(12-20(19)30-2)24-13-25-21(16)26-15-9-7-14(8-10-15)5-3-4-6-17(23)22(27)28/h7-13,17H,3-6,23H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyLSTSYEDDNSXGCZ-UHFFFAOYSA-N
XLogP3.52
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275
2-acetamido-3-[4-[[6-(3-chloropropoxy)-7-methoxyquinazolin-4-yl]amino]phenyl]propanoic acid
CID 175403103
N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
CID 59770632
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10181663
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 59085159

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid?
The IUPAC name of 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid (CID 11441241) is 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid.
What is the SMILES notation for 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid?
The canonical SMILES for 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid is COc1cc2ncnc(Nc3ccc(CCCCC(N)C(=O)O)cc3)c2cc1OC.
What is the InChIKey of 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid?
The InChIKey is LSTSYEDDNSXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-19-11-16-18(12-20(19)30-2)24-13-25-21(16)26-15-9-7-14(8-10-15)5-3-4-6-17(23)22(27)28/h7-13,17H,3-6,23H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid?
2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid has a molecular weight of 410.47 g/mol, XLogP of 3.52, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid is sourced from PubChem (CID 11441241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).